SCHEMBL4664076

SCHEMBL4664076

Cc1nc(CCC(N)=O)co1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
NR4A2 P43354 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
KLF5 Q13887 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FEN1 P39748 1/20 0.34
HTT P42858 1/20 0.34
CDK8 P49336 1/20 0.33
CAPN1 P07384 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
PARP1 P09874 1/20 0.32
HDAC3 O15379 1/20 0.31
RORC P51449 1/20 0.31
MTNR1A P48039 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18214843 0.81 HTT (0.44) DAORAB9AFEN1HTTCDK8
SCHEMBL19006409 0.78 CYP4F2 (0.45) PARP1ALDH1A1LMNAHSD17B10
SCHEMBL13851667 0.77 PPARA (0.39) DAONR4A2SMN1; SMN2FEN1HTT
SCHEMBL3126717 0.77 ALDH1A1 (0.33) NR4A2TP53RAB9AKLF5SMN1; SMN2
SCHEMBL10771090 0.75
SCHEMBL9865597 0.72 CYP1A2 (0.42) SMN1; SMN2
SCHEMBL5281143 0.72 CDK8 (0.40) DAOSMN1; SMN2FEN1CDK8ALDH1A1
Hydrochloric Acid SCHEMBL7422768 0.71 CAPN1 (0.40) NR4A2TP53RAB9AKLF5SMN1; SMN2
SCHEMBL10621415 0.70 FDPS (0.41) DAOLMNA
SCHEMBL12641736 0.70

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007717-A1 NOVEL SULFONAMIDE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-31 EP claimed
WO-2007116374-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-10-18 WO claimed
EP-2007717-A1 NOVEL SULFONAMIDE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-31 EP disclosed
WO-2007116374-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-10-18 WO disclosed